SCHEMBL6202814

SCHEMBL6202814

O=C(Cc1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
PIK3CA P42336 1/20 0.47
PARP1 P09874 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
CNR1 P21554 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27626615 0.88 PARP1 (0.52) L3MBTL1MAPTRAB9ANPC1MEN1
SCHEMBL931177 0.85 MAPT (0.57) L3MBTL1MAPTRAB9ANPC1MEN1
SCHEMBL4183610 0.81 MAPT (0.51) L3MBTL1MAPTRAB9ANPC1MEN1
SCHEMBL1845879 0.81 MAPT (0.49) L3MBTL1MAPTRAB9ANPC1MEN1
SCHEMBL6204433 0.80 MAPT (0.54) MAPTRAB9ANPC1ATMMEN1
SCHEMBL6201625 0.80 RAB9A (0.71) L3MBTL1MAPTRAB9ANPC1MEN1
SCHEMBL5318356 0.80 RAB9A (0.71) L3MBTL1MAPTRAB9ANPC1MEN1
SCHEMBL571046 0.79 L3MBTL1 (0.85) L3MBTL1MAPTRAB9ANPC1POLB
SCHEMBL28872875 0.79 MAPT (0.65) L3MBTL1MAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL28260371 0.78 L3MBTL1 (0.82) L3MBTL1MAPTRAB9ANPC1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed